(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C10H9BrF3NO2 — CID 116572849

IUPAC(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1occc1Br)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H9BrF3NO2/c11-6-1-4-17-7(6)8(16)9(10(12,13)14)2-3-15-5-9/h1,4,15H,2-3,5H2
InChIKeyMTOOGIBFHMMUJP-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.77
Rot. Bonds2

About (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572849) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572849
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1occc1Br)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H9BrF3NO2/c11-6-1-4-17-7(6)8(16)9(10(12,13)14)2-3-15-5-9/h1,4,15H,2-3,5H2
InChIKeyMTOOGIBFHMMUJP-UHFFFAOYSA-N
XLogP2.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572849) is (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(c1occc1Br)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is MTOOGIBFHMMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-6-1-4-17-7(6)8(16)9(10(12,13)14)2-3-15-5-9/h1,4,15H,2-3,5H2.
What are the key properties of (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 312.09 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).